CID 442393

Beta-selinene

Structural Information

Molecular Formula
C15H24
SMILES
CC(=C)[C@@H]1CC[C@]2(CCCC(=C)[C@@H]2C1)C
InChI
InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h13-14H,1,3,5-10H2,2,4H3/t13-,14+,15-/m1/s1
InChIKey
YOVSPTNQHMDJAG-QLFBSQMISA-N
Compound name
(3R,4aS,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

51
References

1962
Patents

204.1878 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.195076 149.8
[M+Na]+ 227.177018 154.1
[M-H]- 203.180524 152.9
[M+NH4]+ 222.221623 171.9
[M+K]+ 243.150958 150.4
[M+H-H2O]+ 187.185060 144.6
[M+HCOO]- 249.186001 164.3
[M+CH3COO]- 263.201651 189.7
[M+Na-2H]- 225.162466 151.4
[M]+ 204.18725142 142.2
[M]- 204.18834858 142.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.